3-Aminophenylboronic acid hydrochloride

Base Information

• Chemical Name: 3-Aminophenylboronic acid hydrochloride
• CAS No.: 85006-23-1
• Molecular Formula: C₆H₉BNO₂*Cl
• Molecular Weight: 173.407
• Hs Code.: 29310095
• Mol file: 85006-23-1.mol

Synonyms:Boronicacid, (3-aminophenyl)-, hydrochloride (9CI);(m-Aminophenyl)boronic acidhydrochloride;

Chemical Property of 3-Aminophenylboronic acid hydrochloride

Chemical Property:

• Appearance/Colour: WHITE TO LIGHT BROWN POWDER
• Vapor Pressure: 2.54E-06mmHg at 25°C
• Melting Point: >300℃
• Boiling Point: 376 °C at 760 mmHg
• Flash Point: 181.2 °C
• PSA: 66.48000
• Density: 1.244
• LogP: 0.33180
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 173.0414864
• Heavy Atom Count: 11
• Complexity: 110

Purity/Quality:

99% ^*data from raw suppliers

3-Aminophenylboronic acid hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: B(C1=CC(=CC=C1)[NH3+])(O)O.[Cl-]
• Uses: suzuki reaction 3-Aminobenzeneboronic acid hydrochloride is used as pharmaceutical intermediate.

Technology Process of 3-Aminophenylboronic acid hydrochloride

There total 2 articles about 3-Aminophenylboronic acid hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

dihydroxy-methyl-borane (13061-96-6) + 3-aminophenylboronic acid pinacolate (210907-84-9) → 3-aminophenylboronic acid hydrochloric salt (85006-23-1)

Guidance literature:

dihydroxy-methyl-borane; 3-aminophenylboronic acid pinacolate; With trifluoroacetic acid; In dichloromethane; at 20 ℃;

With hydrogenchloride; In water; at 20 ℃; Reagent/catalyst; Temperature; Solvent;

DOI:10.1021/acs.orglett.9b00584

Reference yield: 94.0%

dihydroxy-methyl-borane (13061-96-6) + 3-aminophenylboronic acid pinanediol ester → 3-aminophenylboronic acid hydrochloric salt (85006-23-1)

Guidance literature:

dihydroxy-methyl-borane; 3-aminophenylboronic acid pinanediol ester; With trifluoroacetic acid; In dichloromethane; at 20 ℃;

With hydrogenchloride; In water; at 20 ℃;

DOI:10.1021/acs.orglett.9b00584

Reference yield:

5-bromo-3-chloro-1H-pyrrolo[2,3-b]pyridine (951626-91-8) + 3-aminophenylboronic acid hydrochloric salt (85006-23-1) → C13H10ClN3

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate; In acetonitrile; at 90 ℃; for 18h; Inert atmosphere; Sealed tube;

upstream raw materials:

dihydroxy-methyl-borane

3-aminophenylboronic acid pinacolate

Downstream raw materials:

(3-acrylamidophenyl)boronic acid

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